3-(2,3,4,4a,9,9a-hexahydro-1H-xanthen-9-yl)imidazole-4-carboxylic acid

Systemtic Name: 3-(2,3,4,4a,9,9a-hexahydro-1H-xanthen-9-yl)imidazole-4-carboxylic acid Openeye Name: 3-(2,3,4,4a,9,9a-hexahydro-1H-xanthen-9-yl)imidazole-4-carboxylic acid CAS Name: 3-(2,3,4,4a,9,9a-hexahydro-1H-xanthen-9-yl)-4-imidazolecarboxylic acid IUPAC Name: 3-(2,3,4,4a,9,9a-hexahydro-1H-xanthen-9-yl)imidazole-4-carboxylic acid Traditional Name: 3-(2,3,4,4a,9,9a-hexahydro-1H-xanthen-9-yl)imidazole-4-carboxylic acid Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(C3=CC=CC=C3O2)N4C=NC=C4C(=O)O

Isomeric SMILES

C1CCC2C(C1)C(C3=CC=CC=C3O2)N4C=NC=C4C(=O)O

InChI

InChI=1S/C17H18N2O3/c20-17(21)13-9-18-10-19(13)16-11-5-1-3-7-14(11)22-15-8-4-2-6-12(15)16/h1,3,5,7,9-10,12,15-16H,2,4,6,8H2,(H,20,21)